tert-butyl 2-aminoacetate;ethane

C8H19NO2 — CID 143116857

IUPACtert-butyl 2-aminoacetate;ethane
SMILESCC.CC(C)(C)OC(=O)CN
InChIInChI=1S/C6H13NO2.C2H6/c1-6(2,3)9-5(8)4-7;1-2/h4,7H2,1-3H3;1-2H3
InChIKeyLVYOCZLDGDJPKO-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.31
Rot. Bonds1

About tert-butyl 2-aminoacetate;ethane

tert-butyl 2-aminoacetate;ethane (PubChem CID 143116857) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is tert-butyl 2-aminoacetate;ethane.

Molecular Properties

Compound Nametert-butyl 2-aminoacetate;ethane
PubChem CID143116857
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Nametert-butyl 2-aminoacetate;ethane
SMILESCC.CC(C)(C)OC(=O)CN
InChIInChI=1S/C6H13NO2.C2H6/c1-6(2,3)9-5(8)4-7;1-2/h4,7H2,1-3H3;1-2H3
InChIKeyLVYOCZLDGDJPKO-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
ditert-butyl pentanedioate
CID 3016405
tert-butyl propanoate;hydrobromide
CID 172778720
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
tert-butyl 8-fluorooctanoate
CID 155896225
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 3,3-diaminopropanoate
CID 57031897
tert-butyl 2-[(2-aminoacetyl)-[(2-aminoacetyl)-(2-oxopropyl)amino]amino]acetate
CID 170067819
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
tert-butyl 3-amino-3-methyliminopropanoate;ethane
CID 142912028

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminoacetate;ethane?
The IUPAC name of tert-butyl 2-aminoacetate;ethane (CID 143116857) is tert-butyl 2-aminoacetate;ethane.
What is the SMILES notation for tert-butyl 2-aminoacetate;ethane?
The canonical SMILES for tert-butyl 2-aminoacetate;ethane is CC.CC(C)(C)OC(=O)CN.
What is the InChIKey of tert-butyl 2-aminoacetate;ethane?
The InChIKey is LVYOCZLDGDJPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6/c1-6(2,3)9-5(8)4-7;1-2/h4,7H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 2-aminoacetate;ethane?
tert-butyl 2-aminoacetate;ethane has a molecular weight of 161.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-aminoacetate;ethane is sourced from PubChem (CID 143116857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).